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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16O7
Molecular Weight 332.3047
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-3,4-DIHYDRO-5,6,7-TRIHYDROXY-4-(30-METHOXY-40-HYDROXYPHENYL)-1H-(2)-BENZOPYRAN-1-ONE, (3R,4S)-

SMILES

COC1=CC(=CC=C1O)[C@@H]2[C@@H](C)OC(=O)C3=CC(O)=C(O)C(O)=C23

InChI

InChIKey=AHKASOBSHARJFA-UHLUBPPHSA-N
InChI=1S/C17H16O7/c1-7-13(8-3-4-10(18)12(5-8)23-2)14-9(17(22)24-7)6-11(19)15(20)16(14)21/h3-7,13,18-21H,1-2H3/t7-,13+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-METHYL-3,4-DIHYDRO-5,6,7-TRIHYDROXY-4-(30-METHOXY-40-HYDROXYPHENYL)-1H-(2)-BENZOPYRAN-1-ONE, (3R,4S)-
Systematic Name English
(3R,4S)-3-METHYL-3,4-DIHYDRO-5,6,7-TRIHYDROXY-4-(30-METHOXY-40-HYDROXYPHENYL)-1H-(2)-BENZOPYRAN-1-ONE
Preferred Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-5,6,7-TRIHYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-3-METHYL-, (3R,4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
B96PD22ZVQ
Created by admin on Mon Mar 31 22:32:30 GMT 2025 , Edited by admin on Mon Mar 31 22:32:30 GMT 2025
PRIMARY
PUBCHEM
91558030
Created by admin on Mon Mar 31 22:32:30 GMT 2025 , Edited by admin on Mon Mar 31 22:32:30 GMT 2025
PRIMARY
CAS
1201942-93-9
Created by admin on Mon Mar 31 22:32:30 GMT 2025 , Edited by admin on Mon Mar 31 22:32:30 GMT 2025
PRIMARY
NIH
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